Basic information
- Standard SMILES
N#CCCC(=O)c1cc(Cl)ccc1O- InChIKey
JHTAIMGRPOVUSM-UHFFFAOYSA-N- Molecular formula
- C10H8ClNO2
- Average molar mass
- 209.63 g/mol
Names & identifiers
- Preferred name
- 4-(5-Chloro-2-hydroxy-phenyl)-4-oxo-butyronitrile
- IUPAC
- 4-(5-chloro-2-hydroxyphenyl)-4-oxobutanenitrile
Names & synonyms
SCHEMBL6076529JHTAIMGRPOVUSM-UHFFFAOYSA-N4-(5-Chloro-2-hydroxy-phenyl)-4-oxo-butyronitrile
Database identifiers
- PubChem CID
- 21973322
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 61.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 258
Related reactions
4 records
Compound notes
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